4AKQ
Mutations in the neighbourhood of CotA-laccase trinuclear site: E498D mutant
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID23-2 |
Synchrotron site | ESRF |
Beamline | ID23-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-06-30 |
Detector | MARMOSAIC 225 mm CCD |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 101.833, 101.833, 136.565 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 40.820 - 2.100 |
R-factor | 0.17876 |
Rwork | 0.177 |
R-free | 0.20623 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1w6l |
RMSD bond length | 0.007 |
RMSD bond angle | 1.036 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 54.070 | 2.210 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.080 | 0.370 |
Number of reflections | 48362 | |
Completeness [%] | 99.9 | 100 |
Redundancy | 4 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5.5 | 10% PEG 4K, 0.1 M SODIUM CITRATE PH 5.5, 26% ISOPROPANOL |